SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wkh'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 ALA A 206
TRP A 265
GLY A 330
GLU A 337
ARG A 280
 None
 1.07A 1agmA-3wkhA:
22.1		 1agmA-3wkhA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 ALA A 206
TRP A 265
GLY A 330
GLU A 337
ARG A 280
 None
 1.07A 1agmA-3wkhA:
22.1		 1agmA-3wkhA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_D_DESD600_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 LEU A 240
LEU A 268
ARG A 401
LEU A 202
ILE A 232
 None
 1.12A 1s9pD-3wkhA:
undetectable		 1s9pD-3wkhA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 GLY A 310
GLY A 313
PHE A 244
SER A 256
HIS A 259
 None
None
None
None
BMA  A 502 (-4.2A)
 1.20A 1wg8A-3wkhA:
undetectable		 1wg8A-3wkhA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		4 / 5 ILE A 261
LEU A 240
ALA A 263
GLU A 262
 None
None
None
BMA  A 502 (-3.5A)
 1.13A 1xvaA-3wkhA:
undetectable
1xvaB-3wkhA:
undetectable		 1xvaA-3wkhA:
22.25
1xvaB-3wkhA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		4 / 6 ALA A 263
GLU A 262
ILE A 261
LEU A 240
 None
BMA  A 502 (-3.5A)
None
None
 0.82A 1xvaA-3wkhA:
undetectable
1xvaB-3wkhA:
undetectable		 1xvaA-3wkhA:
22.25
1xvaB-3wkhA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 THR A 294
ALA A 291
SER A 304
GLY A 303
ALA A 346
 None
 1.22A 2f162-3wkhA:
undetectable		 2f162-3wkhA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 THR A 294
ALA A 291
SER A 304
GLY A 303
ALA A 346
 None
 1.22A 2f16N-3wkhA:
undetectable		 2f16N-3wkhA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 ALA A 206
TRP A 265
GLY A 330
GLU A 337
ARG A 280
 None
 1.01A 2f6dA-3wkhA:
20.5		 2f6dA-3wkhA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		4 / 5 ALA A  87
TRP A 136
LEU A 133
ALA A  72
 None
 1.14A 2jstA-3wkhA:
undetectable
2jstB-3wkhA:
undetectable		 2jstA-3wkhA:
9.63
2jstB-3wkhA:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		3 / 3 TYR A 389
GLU A 326
ASN A 333
 None
 1.00A 2y7hC-3wkhA:
undetectable		 2y7hC-3wkhA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 ALA A  73
ALA A 394
VAL A 329
GLU A 203
VAL A 211
 None
 1.11A 3c6gB-3wkhA:
undetectable		 3c6gB-3wkhA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		3 / 3 ARG A 355
ILE A 399
THR A  80
 None
 0.70A 3ia4D-3wkhA:
undetectable		 3ia4D-3wkhA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 10 PHE A 384
GLY A 387
TRP A 108
ILE A  67
GLY A  45
 None
CL  A 501 (-3.5A)
None
None
None
 1.23A 3km6A-3wkhA:
2.8		 3km6A-3wkhA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 THR A 294
ALA A 291
SER A 304
GLY A 303
ALA A 346
 None
 1.19A 3mg0N-3wkhA:
undetectable		 3mg0N-3wkhA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		4 / 6 GLU A  56
ARG A 115
ALA A 112
ALA A 111
 None
 1.15A 3ns1C-3wkhA:
undetectable		 3ns1C-3wkhA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 ILE A 354
ALA A 327
LEU A 328
LEU A  15
GLY A 298
 None
 0.91A 3ozwB-3wkhA:
undetectable		 3ozwB-3wkhA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_A_SAMA6735_1
(16S RRNA METHYLASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		3 / 3 ASP A 383
GLU A 365
SER A 185
 None
None
GAL  A 503 (-3.2A)
 0.58A 3p2kA-3wkhA:
undetectable		 3p2kA-3wkhA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		4 / 6 LEU A 221
TYR A 168
ARG A 193
THR A 197
 None
 1.18A 3wg7A-3wkhA:
1.7
3wg7J-3wkhA:
undetectable		 3wg7A-3wkhA:
19.15
3wg7J-3wkhA:
9.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 LEU A 229
ILE A 225
LEU A 268
GLU A 337
ARG A 280
 None
 1.49A 4b9zA-3wkhA:
undetectable		 4b9zA-3wkhA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		3 / 3 TYR A 389
HIS A 390
ARG A 393
 None
BMA  A 502 ( 4.0A)
None
 0.95A 4e7bC-3wkhA:
undetectable		 4e7bC-3wkhA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 LEU A 202
ARG A 210
VAL A 273
LEU A 274
LEU A 266
 None
 1.27A 4or0B-3wkhA:
undetectable		 4or0B-3wkhA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_E_IPHE101_0
(INSULIN)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 ILE A 232
LEU A 267
LEU A 290
ALA A 263
LEU A 199
 None
 1.07A 4p65E-3wkhA:
undetectable
4p65F-3wkhA:
undetectable
4p65J-3wkhA:
undetectable
4p65L-3wkhA:
undetectable		 4p65E-3wkhA:
4.57
4p65F-3wkhA:
9.09
4p65J-3wkhA:
9.09
4p65L-3wkhA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_E_CHDE104_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 TYR A 153
GLU A 203
LEU A 221
ARG A 220
LEU A 217
 None
 0.92A 4wg0C-3wkhA:
undetectable
4wg0D-3wkhA:
undetectable
4wg0E-3wkhA:
undetectable		 4wg0C-3wkhA:
2.19
4wg0D-3wkhA:
2.19
4wg0E-3wkhA:
2.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_G_CHDG103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 11 TYR A 153
GLU A 203
LEU A 221
ARG A 220
LEU A 217
 None
 0.89A 4wg0E-3wkhA:
undetectable
4wg0F-3wkhA:
undetectable
4wg0G-3wkhA:
undetectable		 4wg0E-3wkhA:
2.19
4wg0F-3wkhA:
2.19
4wg0G-3wkhA:
2.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 TYR A 205
SER A 127
LEU A 217
ALA A 149
TYR A 168
 None
 1.30A 5dsgB-3wkhA:
undetectable		 5dsgB-3wkhA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		3 / 3 LEU A 208
ILE A 130
TYR A 168
 None
 0.70A 5uunB-3wkhA:
2.2		 5uunB-3wkhA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W7P_A_SAMA501_0
(OXAC)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 ALA A  61
GLY A  60
PHE A  94
LEU A 133
ARG A 120
 None
 1.16A 5w7pA-3wkhA:
undetectable		 5w7pA-3wkhA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		5 / 12 GLU A 365
ILE A  27
TRP A 366
THR A  80
ALA A 398
 None
 1.22A 5x5qB-3wkhA:
undetectable		 5x5qB-3wkhA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		4 / 8 TYR A 124
ASN A 196
PHE A 228
SER A 127
 BMA  A 502 (-4.6A)
BMA  A 502 (-2.8A)
None
None
 1.24A 6huoC-3wkhA:
undetectable
6huoD-3wkhA:
undetectable		 6huoC-3wkhA:
10.68
6huoD-3wkhA:
13.28